[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

C26H32N2O7 — CID 42900448

IUPAC[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
SMILESCCOc1cc(C(=O)OC(C)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H32N2O7/c1-4-33-23-16-19(12-13-22(23)34-17-24(29)28-14-8-5-9-15-28)26(31)35-18(2)25(30)27-20-10-6-7-11-21(20)32-3/h6-7,10-13,16,18H,4-5,8-9,14-15,17H2,1-3H3,(H,27,30)
InChIKeyZMNLUPRQSAHFNW-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.67
Rot. Bonds10

About [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (PubChem CID 42900448) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
PubChem CID42900448
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
SMILESCCOc1cc(C(=O)OC(C)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H32N2O7/c1-4-33-23-16-19(12-13-22(23)34-17-24(29)28-14-8-5-9-15-28)26(31)35-18(2)25(30)27-20-10-6-7-11-21(20)32-3/h6-7,10-13,16,18H,4-5,8-9,14-15,17H2,1-3H3,(H,27,30)
InChIKeyZMNLUPRQSAHFNW-UHFFFAOYSA-N
XLogP3.67
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 30198862
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712183
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
CID 27110204
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975907
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708079
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708096
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 43014845
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4832339
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (CID 42900448) is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.
What is the SMILES notation for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The canonical SMILES for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is CCOc1cc(C(=O)OC(C)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The InChIKey is ZMNLUPRQSAHFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-4-33-23-16-19(12-13-22(23)34-17-24(29)28-14-8-5-9-15-28)26(31)35-18(2)25(30)27-20-10-6-7-11-21(20)32-3/h6-7,10-13,16,18H,4-5,8-9,14-15,17H2,1-3H3,(H,27,30).
What are the key properties of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate has a molecular weight of 484.55 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is sourced from PubChem (CID 42900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).